SCHEMBL20740219

SCHEMBL20740219

CCCCCC(/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 4/20 0.60
PTGFR P43088 4/20 0.60
PTGER1 P34995 3/20 0.60
PTGER3 P43115 3/20 0.60
SLCO2A1 Q92959 2/20 0.60
PTGER4 P35408 2/20 0.60
PTGDR Q13258 1/20 0.60
HPGD P15428 3/20 0.55
ABCC4 O15439 1/20 0.55
PDE4D Q08499 4/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20749914 1.00 TBXA2R (0.60) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL20740218 1.00 TBXA2R (0.60) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL20749941 0.91 PDE4D (0.58) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL7666557 0.90 PDE4D (0.51) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL7666551 0.90 PDE4D (0.51) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL7866047 0.90 PDE4D (0.51) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL17429905 0.90 TBXA2R (0.61) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL13585407 0.87 PTGFR (0.61) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL4246384 0.87 PTGFR (0.61) TBXA2RALDH1A1LMNAPTGFRPTGER1
SCHEMBL4246388 0.87 PTGFR (0.61) TBXA2RALDH1A1LMNAPTGFRPTGER1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166918-B1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN LTD (TW) 2019-02-20 EP disclosed